SCHEMBL20027718

SCHEMBL20027718

Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.51
▸ PYGL P06737 8/20 0.47
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ KDM5B Q9UGL1 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MME P08473 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ TP53 P04637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22897243 1.00 DCAF1 (0.51) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL20027723 0.91 PYGL (0.52) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL20027722 0.87 DCAF1 (0.48) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL22897214 0.87 DCAF1 (0.51) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL20027914 0.86 DCAF1 (0.48) DCAF1PYGLKMT2AMEN1ALDH1A1
SCHEMBL20028717 0.84 DCAF1 (0.50) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL22886500 0.82 DCAF1 (0.54) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL22886627 0.82 PYGL (0.48) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL22885968 0.82 DCAF1 (0.49) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL22885969 0.81 DCAF1 (0.48) DCAF1PYGLCTSVCTSLCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
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